Geometry & MOs

Info

ID:	368547
PubChem CID:	127329415
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	342.186732
ΔH_f, kcal/mol:	-168.3
Dipole, Da:	3.56
IP(EA), eV:	-9.28(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)CC2CCOCC2

DOS

IR

Vibrations